(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide

C14H19N3O2 — CID 83324335

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3O2/c1-19-7-6-16-14(18)12(15)8-10-9-17-13-5-3-2-4-11(10)13/h2-5,9,12,17H,6-8,15H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyPACUYQRXVZHEIY-GFCCVEGCSA-N
MW261.32 g/mol
LogP0.80
Rot. Bonds6

About (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide

(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 83324335) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
PubChem CID83324335
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3O2/c1-19-7-6-16-14(18)12(15)8-10-9-17-13-5-3-2-4-11(10)13/h2-5,9,12,17H,6-8,15H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyPACUYQRXVZHEIY-GFCCVEGCSA-N
XLogP0.80
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide
CID 119956783
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956782
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide
CID 102694962
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (CID 83324335) is (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is PACUYQRXVZHEIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-7-6-16-14(18)12(15)8-10-9-17-13-5-3-2-4-11(10)13/h2-5,9,12,17H,6-8,15H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 261.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 83324335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).